benzyl-(2-hydroxyethyl)-dimethylazanium

C11H18NO+ — CID 25772

IUPACbenzyl-(2-hydroxyethyl)-dimethylazanium
SMILESC[N+](C)(CCO)Cc1ccccc1
InChIInChI=1S/C11H18NO/c1-12(2,8-9-13)10-11-6-4-3-5-7-11/h3-7,13H,8-10H2,1-2H3/q+1
InChIKeyNEUNOKQNYOCZNP-UHFFFAOYSA-N
MW180.27 g/mol
LogP1.26
Rot. Bonds4

About benzyl-(2-hydroxyethyl)-dimethylazanium

benzyl-(2-hydroxyethyl)-dimethylazanium (PubChem CID 25772) has the molecular formula C11H18NO+ and a molecular weight of 180.27 g/mol. Its IUPAC name is benzyl-(2-hydroxyethyl)-dimethylazanium.

Molecular Properties

Compound Namebenzyl-(2-hydroxyethyl)-dimethylazanium
PubChem CID25772
Molecular FormulaC11H18NO+
Molecular Weight180.27 g/mol
Exact Mass180.14
IUPAC Namebenzyl-(2-hydroxyethyl)-dimethylazanium
SMILESC[N+](C)(CCO)Cc1ccccc1
InChIInChI=1S/C11H18NO/c1-12(2,8-9-13)10-11-6-4-3-5-7-11/h3-7,13H,8-10H2,1-2H3/q+1
InChIKeyNEUNOKQNYOCZNP-UHFFFAOYSA-N
XLogP1.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl-(2-hydroxyethyl)-dimethylazanium?
The IUPAC name of benzyl-(2-hydroxyethyl)-dimethylazanium (CID 25772) is benzyl-(2-hydroxyethyl)-dimethylazanium.
What is the SMILES notation for benzyl-(2-hydroxyethyl)-dimethylazanium?
The canonical SMILES for benzyl-(2-hydroxyethyl)-dimethylazanium is C[N+](C)(CCO)Cc1ccccc1.
What is the InChIKey of benzyl-(2-hydroxyethyl)-dimethylazanium?
The InChIKey is NEUNOKQNYOCZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO/c1-12(2,8-9-13)10-11-6-4-3-5-7-11/h3-7,13H,8-10H2,1-2H3/q+1.
What are the key properties of benzyl-(2-hydroxyethyl)-dimethylazanium?
benzyl-(2-hydroxyethyl)-dimethylazanium has a molecular weight of 180.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(2-hydroxyethyl)-dimethylazanium is sourced from PubChem (CID 25772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).